Structure of PDB 5e1k Chain A Binding Site BS01

Receptor Information
>5e1k Chain A (length=145) Species: 5888 (Paramecium tetraurelia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLTEEQIAEFKEAFALFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMI
NEVDADGNGTIDFPEFLSLMARKMKEQDSEEELIEAFKVFDRDGNGLISA
AELRHVMTNLGEKLTDDEVDEMIREADIDGDGHINYEEFVRMMVS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5e1k Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5e1k Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin.
Resolution1.0 Å
Binding residue
(original residue number in PDB)		D20 D22 D24 T26 E31
Binding residue
(residue number reindexed from 1)		D18 D20 D22 T24 E29
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) V35
Catalytic site (residue number reindexed from 1) V33
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0030234 enzyme regulator activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5e1k, PDBe:5e1k, PDBj:5e1k
PDBsum5e1k
PubMed26894537
UniProtP07463|CALM_PARTE Calmodulin (Gene Name=CAM)

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